2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide

C13H18F2N2O3 — CID 120828025

IUPAC2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1cccc(OC)c1OC(F)F
InChIInChI=1S/C13H18F2N2O3/c1-8(16-2)7-17-12(18)9-5-4-6-10(19-3)11(9)20-13(14)15/h4-6,8,13,16H,7H2,1-3H3,(H,17,18)
InChIKeyNHMMMTHARSJWNM-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.63
Rot. Bonds7

About 2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide

2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide (PubChem CID 120828025) has the molecular formula C13H18F2N2O3 and a molecular weight of 288.29 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide
PubChem CID120828025
Molecular FormulaC13H18F2N2O3
Molecular Weight288.29 g/mol
Exact Mass288.13
IUPAC Name2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1cccc(OC)c1OC(F)F
InChIInChI=1S/C13H18F2N2O3/c1-8(16-2)7-17-12(18)9-5-4-6-10(19-3)11(9)20-13(14)15/h4-6,8,13,16H,7H2,1-3H3,(H,17,18)
InChIKeyNHMMMTHARSJWNM-UHFFFAOYSA-N
XLogP1.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
2-methoxy-N-[2-(methylamino)propyl]benzamide
CID 103512789
2-(difluoromethoxy)-3-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 51143674
N-benzyl-2-(difluoromethoxy)-3-methoxybenzamide
CID 51147930
5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid
CID 119234605
(2S)-2-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]propanoic acid
CID 119238118
N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 97000794
2-(difluoromethoxy)-3-methoxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 86820780
N-[(3-chlorophenyl)methyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 51158712
(2S)-2-[[2-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695489
2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide
CID 51147641
N-(2-benzylphenyl)-2-(difluoromethoxy)-3-methoxybenzamide
CID 55331140

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide (CID 120828025) is 2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide is CNC(C)CNC(=O)c1cccc(OC)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide?
The InChIKey is NHMMMTHARSJWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O3/c1-8(16-2)7-17-12(18)9-5-4-6-10(19-3)11(9)20-13(14)15/h4-6,8,13,16H,7H2,1-3H3,(H,17,18).
What are the key properties of 2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide?
2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide has a molecular weight of 288.29 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3-methoxy-N-[2-(methylamino)propyl]benzamide is sourced from PubChem (CID 120828025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).